N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide

C21H23Cl2N3O2 — CID 43924255

IUPACN-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C21H23Cl2N3O2/c1-14(27)24-18-4-6-19(7-5-18)25-21(28)15-8-10-26(11-9-15)13-16-2-3-17(22)12-20(16)23/h2-7,12,15H,8-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyCDAMNEQOKRMXFM-UHFFFAOYSA-N
MW420.34 g/mol
LogP4.80
Rot. Bonds5

About N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide

N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 43924255) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID43924255
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC NameN-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C21H23Cl2N3O2/c1-14(27)24-18-4-6-19(7-5-18)25-21(28)15-8-10-26(11-9-15)13-16-2-3-17(22)12-20(16)23/h2-7,12,15H,8-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyCDAMNEQOKRMXFM-UHFFFAOYSA-N
XLogP4.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
1-[(2,4-dichlorophenyl)methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 53284614
1-[(2,4-dichlorophenyl)methyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 38096708
1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919622
N-(2,5-dichlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920409
N-(4-chloro-2-methylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921571
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
CID 43923773
N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284665
1-[(2,4-dichlorophenyl)methyl]-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 100533151
N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921495
1-[(4-chloro-2-fluorophenyl)methyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 100684708

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide (CID 43924255) is N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is CDAMNEQOKRMXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c1-14(27)24-18-4-6-19(7-5-18)25-21(28)15-8-10-26(11-9-15)13-16-2-3-17(22)12-20(16)23/h2-7,12,15H,8-11,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide?
N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 420.34 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43924255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).